(3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine

C16H20F3NO — CID 71137466

IUPAC(3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine
SMILESNC12CCC(C1)[C@@H](COCc1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C16H20F3NO/c17-16(18,19)14-3-1-2-11(6-14)9-21-10-13-8-15(20)5-4-12(13)7-15/h1-3,6,12-13H,4-5,7-10,20H2/t12?,13-,15?/m1/s1
InChIKeyRVDCVQYBKODTCP-JVWICGRDSA-N
MW299.34 g/mol
LogP3.74
Rot. Bonds4

About (3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine

(3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine (PubChem CID 71137466) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is (3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine.

Molecular Properties

Compound Name(3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine
PubChem CID71137466
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name(3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine
SMILESNC12CCC(C1)[C@@H](COCc1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C16H20F3NO/c17-16(18,19)14-3-1-2-11(6-14)9-21-10-13-8-15(20)5-4-12(13)7-15/h1-3,6,12-13H,4-5,7-10,20H2/t12?,13-,15?/m1/s1
InChIKeyRVDCVQYBKODTCP-JVWICGRDSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine?
The IUPAC name of (3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine (CID 71137466) is (3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine.
What is the SMILES notation for (3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine?
The canonical SMILES for (3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine is NC12CCC(C1)[C@@H](COCc1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of (3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine?
The InChIKey is RVDCVQYBKODTCP-JVWICGRDSA-N. The full InChI is InChI=1S/C16H20F3NO/c17-16(18,19)14-3-1-2-11(6-14)9-21-10-13-8-15(20)5-4-12(13)7-15/h1-3,6,12-13H,4-5,7-10,20H2/t12?,13-,15?/m1/s1.
What are the key properties of (3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine?
(3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine has a molecular weight of 299.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine is sourced from PubChem (CID 71137466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).